N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C11H14Cl2N4 — CID 104734163

IUPACN-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC(C)(CCl)CCl)nccn2n1
InChIInChI=1S/C11H14Cl2N4/c1-8-5-9-10(14-3-4-17(9)16-8)15-11(2,6-12)7-13/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyADCZPFCZTDDBGJ-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.69
Rot. Bonds4

About N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104734163) has the molecular formula C11H14Cl2N4 and a molecular weight of 273.17 g/mol. Its IUPAC name is N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104734163
Molecular FormulaC11H14Cl2N4
Molecular Weight273.17 g/mol
Exact Mass272.06
IUPAC NameN-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC(C)(CCl)CCl)nccn2n1
InChIInChI=1S/C11H14Cl2N4/c1-8-5-9-10(14-3-4-17(9)16-8)15-11(2,6-12)7-13/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyADCZPFCZTDDBGJ-UHFFFAOYSA-N
XLogP2.69
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 104734163) is N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NC(C)(CCl)CCl)nccn2n1.
What is the InChIKey of N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ADCZPFCZTDDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4/c1-8-5-9-10(14-3-4-17(9)16-8)15-11(2,6-12)7-13/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 273.17 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloro-2-methylpropan-2-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104734163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).